aiida-core
https://github.com/aiidateam/aiida-core
Python
The official repository for the AiiDA code
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- Issues
- Add check that `Data` sub classes call super constructor
- Return AiiDA IntegrityErrors instead of Django/SQLAlchemy ones
- Split the DbLink table to allow link uniquess constraints on database level
- Automatic checks of plugins
- Extend QueryBuilder to support mappings of entity attribute name to a differently named column
- [verdi branch]: CodeBuilder needs a way to remove keys
- copy_from_remote_to_remote question
- WorkChains need to be restart-able
- Move user-specific computer methods from computer to DbAuthInfo
- BandsData: suggestion for improvements
- Docs
- Python not yet supported